4-(2-ethoxyethyl)pyridine-2,3-diamine

C9H15N3O — CID 19911480

IUPAC4-(2-ethoxyethyl)pyridine-2,3-diamine
SMILESCCOCCc1ccnc(N)c1N
InChIInChI=1S/C9H15N3O/c1-2-13-6-4-7-3-5-12-9(11)8(7)10/h3,5H,2,4,6,10H2,1H3,(H2,11,12)
InChIKeyVCOOQJDESOGDEC-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.82
Rot. Bonds4

About 4-(2-ethoxyethyl)pyridine-2,3-diamine

4-(2-ethoxyethyl)pyridine-2,3-diamine (PubChem CID 19911480) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name4-(2-ethoxyethyl)pyridine-2,3-diamine
PubChem CID19911480
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(2-ethoxyethyl)pyridine-2,3-diamine
SMILESCCOCCc1ccnc(N)c1N
InChIInChI=1S/C9H15N3O/c1-2-13-6-4-7-3-5-12-9(11)8(7)10/h3,5H,2,4,6,10H2,1H3,(H2,11,12)
InChIKeyVCOOQJDESOGDEC-UHFFFAOYSA-N
XLogP0.82
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethyl)pyridine-2,3-diamine?
The IUPAC name of 4-(2-ethoxyethyl)pyridine-2,3-diamine (CID 19911480) is 4-(2-ethoxyethyl)pyridine-2,3-diamine.
What is the SMILES notation for 4-(2-ethoxyethyl)pyridine-2,3-diamine?
The canonical SMILES for 4-(2-ethoxyethyl)pyridine-2,3-diamine is CCOCCc1ccnc(N)c1N.
What is the InChIKey of 4-(2-ethoxyethyl)pyridine-2,3-diamine?
The InChIKey is VCOOQJDESOGDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-13-6-4-7-3-5-12-9(11)8(7)10/h3,5H,2,4,6,10H2,1H3,(H2,11,12).
What are the key properties of 4-(2-ethoxyethyl)pyridine-2,3-diamine?
4-(2-ethoxyethyl)pyridine-2,3-diamine has a molecular weight of 181.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)pyridine-2,3-diamine is sourced from PubChem (CID 19911480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).